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Home > Aldehydes > 145452-03-5
145452-03-5 | 1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1α,6α,7α,7aα)]- (9CI)
CAS No: 145452-03-5 Catalog No: AG001D20 MDL No:
Product Description
Catalog Number:
AG001D20
Chemical Name:
1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, dihydro-7-hydroxy-6-methyl-1-(1-methylethyl)-5-oxo-, [1S-(1α,6α,7α,7aα)]- (9CI)
CAS Number:
145452-03-5
IUPAC Name:
(1S,6R,7S,7aS)-7-hydroxy-6-methyl-5-oxo-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde
InChI:
InChI=1S/C11H17NO4/c1-6(2)9-11(4-13)8(14)7(3)10(15)12(11)5-16-9/h4,6-9,14H,5H2,1-3H3/t7-,8+,9+,11+/m1/s1
InChI Key:
UTCWMATZCOOTEA-HJGDQZAQSA-N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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